salvinorin A

Ligand id: 1666

Name: salvinorin A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 109.11
Molecular weight 432.18
XLogP 2.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. B├ęguin C, Richards MR, Wang Y, Chen Y, Liu-Chen LY, Ma Z, Lee DY, Carlezon Jr WA, Cohen BM. (2005)
Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).
Bioorg. Med. Chem. Lett., 15 (11): 2761-5. [PMID:15869877]
2. Roth BL, Baner K, Westkaemper R, Siebert D, Rice KC, Steinberg S, Ernsberger P, Rothman RB. (2002)
Salvinorin A: a potent naturally occurring nonnitrogenous kappa opioid selective agonist.
Proc. Natl. Acad. Sci. U.S.A., 99 (18): 11934-9. [PMID:12192085]